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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 13 families. | |||||
1 | 3NIL | - | ARG ASP ALA ALA | n/a | n/a |
2 | 3NIJ | - | HIS ILE ALA ALA | n/a | n/a |
3 | 3NIH | - | ARG ILE ALA ALA ALA | n/a | n/a |
4 | 3NII | - | LYS ILE ALA ALA | n/a | n/a |
5 | 3NIM | Kd = 17.7 uM | ARG ARG ALA ALA | n/a | n/a |
6 | 3NIK | Kd = 358.8 uM | ARG GLU ALA ALA | n/a | n/a |
7 | 3NIN | - | ARG LEU GLY GLU SER | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 12 families. | |||||
1 | 5TDC | Kd = 12.88 uM | NMM ILE PHE SER | n/a | n/a |
2 | 3NIL | - | ARG ASP ALA ALA | n/a | n/a |
3 | 3NIJ | - | HIS ILE ALA ALA | n/a | n/a |
4 | 3NIH | - | ARG ILE ALA ALA ALA | n/a | n/a |
5 | 3NII | - | LYS ILE ALA ALA | n/a | n/a |
6 | 3NIM | Kd = 17.7 uM | ARG ARG ALA ALA | n/a | n/a |
7 | 3NIK | Kd = 358.8 uM | ARG GLU ALA ALA | n/a | n/a |
8 | 3NIN | - | ARG LEU GLY GLU SER | n/a | n/a |
9 | 5TDB | Kd = 1.45 uM | DA2 ILE PHE SER | n/a | n/a |
10 | 3NY3 | Ka = 51900 M^-1 | ARG ILE PHE SER | n/a | n/a |
11 | 5TDA | - | ARG LEU TRP SER | n/a | n/a |
12 | 5TDD | Kd = 34 uM | HIS ILE PHE SER | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HIS ILE ALA ALA | 1 | 1 |
2 | HIS ILE PHE SER | 0.717949 | 0.954545 |
3 | ALA ILE HIS | 0.533333 | 0.954545 |
4 | ALA HIS ALA | 0.513889 | 0.928571 |
5 | LYS ILE ALA ALA | 0.5 | 0.625 |
6 | ALA HIS HIS ALA | 0.5 | 0.930233 |
7 | HIS VAL GLY PRO ILE ALA | 0.45098 | 0.711864 |
8 | HIS ALA GLY PRO ILE ALA | 0.435644 | 0.711864 |
9 | HIS HIS HIS HIS HIS GLY SER | 0.409091 | 0.730769 |
10 | ALA HIS ALA LYS ALA | 0.408602 | 0.833333 |
11 | LYS TYR PRO PHE VAL GLU PRO ILE | 0.403226 | 0.619048 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 3nim.bio4) has 17 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |